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623-73-4 molecular structure
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ethyl 2-diazoacetate

ChemBase ID: 130276
Molecular Formular: C4H6N2O2
Molecular Mass: 114.10264
Monoisotopic Mass: 114.04292744
SMILES and InChIs

SMILES:
CCOC(=O)C=[N+]=[N-]
Canonical SMILES:
[N-]=[N+]=CC(=O)OCC
InChI:
InChI=1S/C4H6N2O2/c1-2-8-4(7)3-6-5/h3H,2H2,1H3
InChIKey:
YVPJCJLMRRTDMQ-UHFFFAOYSA-N

Cite this record

CBID:130276 http://www.chembase.cn/molecule-130276.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-diazoacetate
IUPAC Traditional name
ethyl diazoacetate
Synonyms
DAAE
Ethyl diazoacetate
2-Diazoacetic acid ethyl ester solution
Ethyl diazoacetate solution
2-diazoacetic acid ethyl ester
Ethyl diazoacetate
重氮乙酸乙酯
重氮乙酸乙酯 溶液
CAS Number
623-73-4
MDL Number
MFCD00001989
Beilstein Number
107654
PubChem SID
24894459
162224555
PubChem CID
638330
Chemspider ID
11692
Wikipedia Title
Ethyl_diazoacetate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.766742  H Acceptors
H Donor LogD (pH = 5.5) -0.9060346 
LogD (pH = 7.4) -0.9101333  Log P -0.90598035 
Molar Refractivity 25.7177 cm3 Polarizability 10.250667 Å3
Polar Surface Area 43.37 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
yellow oil expand Show data source
Melting Point
- 22°C expand Show data source
-22 °C(lit.) expand Show data source
Boiling Point
140-141 °C/720 mmHg(lit.) expand Show data source
140-141°C (720 mmHg) expand Show data source
Flash Point
116.6 °F expand Show data source
47 °C expand Show data source
Density
0.895 g/mL at 25 °C expand Show data source
1.085 g/cm3 expand Show data source
1.085 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.46(lit.) expand Show data source
n20/D 1.505 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
5-10-22-40 expand Show data source
Safety Statements
36/37 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H242-H302-H351 expand Show data source
GHS Precautionary statements
P281 expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
15% in toluene expand Show data source
Contains
≥13 wt. % dichloromethane expand Show data source
Linear Formula
N=N=CHCOOC2H5 expand Show data source
Empirical Formula (Hill Notation)
C4H6N2O2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - E22201 external link
Application
Reagent for ruthenium-catalyzed asymmetric cyclopropanation of alkenes.1
New Diazoacetate Formulations
Packaging
20, 100 g in poly bottle
5 g in glass bottle
Sigma Aldrich - 752150 external link
包装
25, 100 mL in glass bottle
Application
New Diazoacetate Formulations

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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